SCHEMBL354277

SCHEMBL354277

CN(C(=O)C(F)(F)F)c1nsc2cccc(CC(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
KDM4E B2RXH2 1/20 0.32
POLQ O75417 1/20 0.31
GRM5 P41594 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL357050 0.82 KDM4E (0.34) HCRTR1HCRTR2KDM4EGRM5
SCHEMBL10207038 0.80 MAPT (0.31) KDM4EGRM5
SCHEMBL10167454 0.79 POLB (0.35) KDM4EGRM5
SCHEMBL10167485 0.79 HCRTR1 (0.33) HCRTR1HCRTR2GRM5
SCHEMBL352456 0.78 HCRTR1 (0.39) HCRTR1HCRTR2KDM4E
SCHEMBL353442 0.77 LMNA (0.36) HCRTR1HCRTR2
SCHEMBL353612 0.74 MEN1 (0.35) HCRTR1HCRTR2KDM4E
SCHEMBL353134 0.74 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL354766 0.73 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL352076 0.72 HTR2C (0.34) KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed